clocapramine (Q5134765)

DrugBank

17 November 2015

Clocapramine.svg
512 × 484; 7 KB

0 references

mass

480.26559 dalton

1 reference

Clocapramine (English)

4 October 2016

chemical formula

C₂₈H₃₇ClN₄O

1 reference

Clocapramine (English)

19 November 2016

canonical SMILES

C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N

1 reference

Clocapramine (English)

InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)

19 November 2016

Commons category

Clocapramine

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Identifiers

InChI

1 reference

Clocapramine (English)

19 November 2016

2 references

Clocapramine (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

47739-98-0

2 references

Global Substance Registration System

UNII

6EEL1GB72K

clocapramine (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=47739-98-0

10 April 2021

1 reference

clocapramine (English)

19 November 2016

2 references

Clocapramine (English)

19 November 2016

ChEBI ID

135778

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)

1 reference

CLOCAPRAMINE (English)

19 November 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

0 references

0 references

1 reference

Human Metabolome Database ID

HMDB0250335

2 references

based on heuristic

inferred from InChIKey

UNII

6EEL1GB72K

2 references

Global Substance Registration System

UNII

6EEL1GB72K

clocapramine (English)

19 November 2016

0 references

1 reference

1 reference

Clocapramine (English)